| SpectraBase Compound ID | Lc5eED2H2b9 |
|---|---|
| InChI | InChI=1S/C7H12BrCl/c8-5-6-3-1-2-4-7(6)9/h6-7H,1-5H2 |
| InChIKey | TZVGIUKTCXJWGM-UHFFFAOYSA-N |
| Mol Weight | 211.53 g/mol |
| Molecular Formula | C7H12BrCl |
| Exact Mass | 209.981091 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5C0e7dljs6w |
|---|---|
| Name | 1-Bromomethyl-2-chlorocyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.981091086 u |
| Formula | C7H12BrCl |
| InChI | InChI=1S/C7H12BrCl/c8-5-6-3-1-2-4-7(6)9/h6-7H,1-5H2 |
| InChIKey | TZVGIUKTCXJWGM-UHFFFAOYSA-N |
| Molecular Weight | 211.530 g/mol |
| SMILES | C1CCC(C(C1)Cl)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871369 |